COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -3.259   1.138   1.304  1.00  0.00           C  
HETATM    2  CD2 UNL     1      -4.525   2.654  -1.331  1.00  0.00           C  
HETATM    3  CG  UNL     1      -4.670   1.425  -0.715  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.260   1.170   2.834  1.00  0.00           C  
HETATM    5  CE2 UNL     1      -4.510   2.738  -2.711  1.00  0.00           C  
HETATM    6  CZ  UNL     1      -4.632   1.592  -3.474  1.00  0.00           C  
HETATM    7  CE1 UNL     1      -4.771   0.362  -2.858  1.00  0.00           C  
HETATM    8  CD1 UNL     1      -4.798   0.280  -1.479  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   1.295   0.710  1.00  0.00           C  
HETATM   10  C   UNL     1       3.538   0.428  -0.289  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.145  -5.136  -0.254  1.00  0.00           C  
HETATM   12  C   UNL     1       5.416   1.786   1.241  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.860  -1.624   0.388  1.00  0.00           C  
HETATM   14  C   UNL     1       0.522  -1.776   0.270  1.00  0.00           C  
HETATM   15  N   UNL     1       1.329  -0.754   0.460  1.00  0.00           N  
HETATM   16  C   UNL     1       0.874   0.455   0.768  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.487   0.694   0.906  1.00  0.00           C  
HETATM   18  C   ACE A   0      -1.381  -0.353   0.715  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.746  -0.155   0.843  1.00  0.00           N  
HETATM   20  N   UNL     1       1.772   1.494   0.957  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.760  -2.768   0.169  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.249  -3.998  -0.036  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.965  -2.603   0.173  1.00  0.00           O  
HETATM   24  CB  UNL     1      -4.686   1.333   0.789  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.183   0.198   3.330  1.00  0.00           O  
HETATM   26  C   UNL     1       4.896   0.232  -0.533  1.00  0.00           C  
HETATM   27  C   UNL     1       5.856   0.907   0.227  1.00  0.00           C  
HETATM   28  C   UNL     1       4.088   1.966   1.474  1.00  0.00           C  
HETATM   29  S   UNL     1       5.731  -0.782  -1.707  1.00  0.00           S  
HETATM   30  C   UNL     1       7.285  -0.229  -1.095  1.00  0.00           C  
HETATM   31  N   UNL     1       7.117   0.607  -0.141  1.00  0.00           N  
HETATM   32  HA  UNL     1      -2.623   1.937   0.924  1.00  0.00           H  
HETATM   33  HD2 UNL     1      -4.430   3.549  -0.735  1.00  0.00           H  
HETATM   34  H1  UNL     1      -2.260   0.942   3.202  1.00  0.00           H  
HETATM   35  H2  UNL     1      -3.557   2.161   3.176  1.00  0.00           H  
HETATM   36  HE2 UNL     1      -4.402   3.698  -3.192  1.00  0.00           H  
HETATM   37  HZ  UNL     1      -4.620   1.657  -4.552  1.00  0.00           H  
HETATM   38  HE1 UNL     1      -4.867  -0.533  -3.455  1.00  0.00           H  
HETATM   39  HD1 UNL     1      -4.910  -0.681  -0.997  1.00  0.00           H  
HETATM   40  H   UNL     1       2.802  -0.097  -0.879  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.554  -6.041  -0.400  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.791  -5.261   0.615  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.755  -4.954  -1.138  1.00  0.00           H  
HETATM   44  H   UNL     1       6.141   2.317   1.840  1.00  0.00           H  
HETATM   45  H   UNL     1       0.934  -2.743   0.020  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.846   1.681   1.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.363  -0.872   0.627  1.00  0.00           H  
HETATM   48  H   UNL     1       1.455   2.359   1.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.288  -4.129  -0.039  1.00  0.00           H  
HETATM   50  HB1 UNL     1      -5.302   0.487   1.095  1.00  0.00           H  
HETATM   51  HB2 UNL     1      -5.100   2.252   1.204  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.236   0.162   4.295  1.00  0.00           H  
HETATM   53  H   UNL     1       3.769   2.642   2.253  1.00  0.00           H  
HETATM   54  H   UNL     1       8.244  -0.549  -1.474  1.00  0.00           H  
CONECT    1   19   24    4   32                                       
CONECT    2    3    5    5   33                                       
CONECT    3   24    8    8    2                                       
CONECT    4    1   25   34   35                                       
CONECT    5    2    2    6   36                                       
CONECT    6    7    7    5   37                                       
CONECT    7    8    6    6   38                                       
CONECT    8    3    3    7   39                                       
CONECT    9   20   28   28   10                                       
CONECT   10    9   26   26   40                                       
CONECT   11   22   41   42   43                                       
CONECT   12   28   27   27   44                                       
CONECT   13   14   21   18   18                                       
CONECT   14   15   15   13   45                                       
CONECT   15   14   14   16                                            
CONECT   16   15   20   17   17                                       
CONECT   17   16   16   18   46                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18    1   47                                            
CONECT   20   16    9   48                                            
CONECT   21   22   13   23   23                                       
CONECT   22   11   21   49                                            
CONECT   23   21   21                                                 
CONECT   24    1    3   50   51                                       
CONECT   25    4   52                                                 
CONECT   26   10   10   27   29                                       
CONECT   27   12   12   26   31                                       
CONECT   28    9    9   12   53                                       
CONECT   29   26   30                                                 
CONECT   30   31   31   29   54                                       
CONECT   31   27   30   30                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
